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ENAMINE-ZINC03507747

 MMsINC code: MMs01480857
Type: Neutral
Formula: C24H24N2O5
SMILES:   O=C1N(C2CCCCC2)C(=O)c2c1cc(cc2)C(OCC(=O)NCc1ccccc1)=O
InChI:   InChI=1/C24H24N2O5/c27-21(25-14-16-7-3-1-4-8-16)15-31-24(30)17-11-12-19-20(13-17)23(29)26(22(19)28)18-9-5-2-6-10-18/h1,3-4,7-8,11-13,18H,2,5-6,9-10,14-15H2,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.9031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.72807  SlogP: 3.3549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0227795  Sterimol/B1: 3.62422  Sterimol/B2: 3.62711  Sterimol/B3: 3.66305
  Sterimol/B4: 4.68653  Sterimol/L: 24.863 
 
 Surface and Volume Properties
  Accessible surface: 736.357  Positive charged surface: 460.469  Negative charged surface: 275.888  Volume: 396.625
  Hydrophobic surface: 574.031  Hydrophilic surface: 162.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.